Geometry & MOs

Info

ID:	370226
PubChem CID:	127337893
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	1.19
IP(EA), eV:	-8.55(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CCC1CN(CCO1)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations